Geometry & MOs

Info

ID:

119372

PubChem CID:

50681097

Reduced:

ClFO5N6C36H46 (1)

Stoich.:

ABC5D6E36F46 (1)

Weight, g/mol:

720.259374

ΔHf, kcal/mol:

-265.1

Dipole, Da:

4.79

IP(EA), eV:

 -8.54(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCCC2)Cl)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)F)NC(=O)C5CCCCC5

DOS

IR

Vibrations